SCHEMBL13626593

SCHEMBL13626593

CN(Cc1ccc(-c2ncccn2)cc1)S(=O)(=O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NAMPT P43490 3/20 0.45
MAPK1 P28482 1/20 0.44
HPGD P15428 3/20 0.43
HTT P42858 2/20 0.43
THRB P10828 1/20 0.43
PTGER2 P43116 3/20 0.43
LMNA P02545 1/20 0.42
CYP11B1 P15538 1/20 0.41
NR1H3 Q13133 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2A6 P11509 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29642739 0.84 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1NAMPTHPGD
SCHEMBL30876286 0.82 KEAP1 (0.56) ALDH1A1KMT2AMEN1NAMPTCYP11B1
SCHEMBL13637271 0.76 CA12 (0.51) PTGER2
SCHEMBL13398723 0.76 PTGER2 (0.54) PTGER2
SCHEMBL13420292 0.76 PTGER2 (0.52) PTGER2
SCHEMBL5049401 0.76 PTGER2 (0.51) PTGER2
SCHEMBL13398734 0.75 PTGER2 (0.54) PTGER2
SCHEMBL5043275 0.75 PTGER2 (0.46) PTGER2
SCHEMBL4945973 0.75 CA12 (0.58) PTGER2
SCHEMBL12077955 0.74 NAPRT (0.50) ALDH1A1MAPK1HPGDHTTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622475-B2 EP2 agonists PFIZER INC (US) 2009-11-24 US disclosed
US-7622475-B2 EP2 agonists PFIZER INC (US) 2009-11-24 US disclosed